2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide

C11H22IN3S — CID 111527858

IUPAC2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NC1CCC(SC)C1.I
InChIInChI=1S/C11H21N3S.HI/c1-4-7-13-11(12-2)14-9-5-6-10(8-9)15-3;/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,14);1H
InChIKeyQDDOISBZHCZUEE-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide

2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide (PubChem CID 111527858) has the molecular formula C11H22IN3S and a molecular weight of 355.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide
PubChem CID111527858
Molecular FormulaC11H22IN3S
Molecular Weight355.29 g/mol
Exact Mass355.06
IUPAC Name2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NC1CCC(SC)C1.I
InChIInChI=1S/C11H21N3S.HI/c1-4-7-13-11(12-2)14-9-5-6-10(8-9)15-3;/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,14);1H
InChIKeyQDDOISBZHCZUEE-UHFFFAOYSA-N
XLogP2.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide (CID 111527858) is 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NC1CCC(SC)C1.I.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is QDDOISBZHCZUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S.HI/c1-4-7-13-11(12-2)14-9-5-6-10(8-9)15-3;/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,14);1H.
What are the key properties of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 355.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 111527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).